Spektraris NMR
Wallichanol B
Common Name: Wallichanol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17(2)14-4-5-19-7-11-8-20(23,10-19)12(11)6-15(19)18(14,3)9-13(21)16(17)22/h11-12,14-16,22-23H,4-10H2,1-3H3/t11?,12-,14-,15+,16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=YNBJIQXDEGKJLG-SMAQZFBKSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pan, L., Zhou, P., Zhang, X., Peng, S., Ding, L., Qiu, S.X. Org Lett (2006) 8, 2775_78
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Wallichanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 52.6 |
| 2 (C) | 210.7 |
| 3 (CH) | 83 |
| 4 (C) | 45.7 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 19 |
| 7 (CH2) | 40.7 |
| 8 (C) | 36.2 |
| 9 (CH) | 53.5 |
| 10 (C) | 44.3 |
| 11 (CH2) | 19.3 |
| 12 (CH) | 42.8 |
| 13 (CH) | 25.7 |
| 14 (CH2) | 33.3 |
| 15 (CH2) | 53.1 |
| 16 (C) | 73.2 |
| 17 (CH2) | 47.5 |
| 18 (CH3) | 29.3 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 15.9 |
